2-(2-methylphenyl)-1,2-benzothiazol-3-one
TL;DR: 2-(2-methylphenyl)-1,2-benzothiazol-3-one (CAS 4299-23-4) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenyl)-1,2-benzothiazol-3-one
Also Known As: 2-(2-methylphenyl)-1,2-benzothiazol-3-one, 2-O-Tolyl-benzo[d]isothiazol-3-one, 2-(o-tolyl)-1,2-benzothiazol-3-one, 1,2-Benzisothiazol-3(2H)-one, 2-(2-methylphenyl)-, 2-(o-tolyl)benzo[d]isothiazol-3(2H)-one
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 4299-23-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3S2 |
| InChIKey | KKEJCKRIXMXTOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-methylphenyl)-1,2-benzothiazol-3-one (CAS 4299-23-4), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 2-(2-methylphenyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(2-methylphenyl)-1,2-benzothiazol-3-one
Property Insights of 2-(2-methylphenyl)-1,2-benzothiazol-3-one
The XLogP value of 3.4 indicates that 2-(2-methylphenyl)-1,2-benzothiazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 2-(2-methylphenyl)-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-methylphenyl)-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-methylphenyl)-1,2-benzothiazol-3-one?
The CAS number of 2-(2-methylphenyl)-1,2-benzothiazol-3-one is 4299-23-4.
What is the molecular formula of 2-(2-methylphenyl)-1,2-benzothiazol-3-one?
The molecular formula of 2-(2-methylphenyl)-1,2-benzothiazol-3-one is C14H11NOS.
What is the molecular weight of 2-(2-methylphenyl)-1,2-benzothiazol-3-one?
The molecular weight of 2-(2-methylphenyl)-1,2-benzothiazol-3-one is 241.06 g/mol.
Where can I buy 2-(2-methylphenyl)-1,2-benzothiazol-3-one?
You can request a quote for 2-(2-methylphenyl)-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methylphenyl)-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methylphenyl)-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.